SCHEMBL7289657

SCHEMBL7289657

NCCC(c1cccc(C(F)(F)F)c1)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.50
SLC6A2 P23975 4/20 0.45
SLC6A4 P31645 4/20 0.45
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
CHRM2 P08172 1/20 0.45
SCN1A P35498 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN3A Q9NY46 1/20 0.45
HRH1 P35367 2/20 0.43
HRH4 Q9H3N8 1/20 0.43
SLC6A3 Q01959 3/20 0.42
ALDH1A1 P00352 1/20 0.42
KCNK2 O95069 1/20 0.42
KCNH2 Q12809 1/20 0.42
CACNA1C Q13936 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
KIF11 P52732 1/20 0.41
ACP3 P15309 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7294209 0.85 HRH3 (0.48) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL6000918 0.83 PNMT (0.60) PNMTSLC6A2SLC6A4IDO1TDO2
SCHEMBL7295270 0.82 SLC6A2 (0.48) SLC6A2SLC6A4IDO1TDO2CHRM2
SCHEMBL9812324 0.81 SLC6A2 (0.63) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL7295479 0.80 SLC6A2 (0.49) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL17842112 0.79 PNMT (0.49) PNMTSLC6A2SLC6A4IDO1TDO2
SCHEMBL29096044 0.79 SLC6A3 (0.64) PNMTSLC6A2SLC6A4IDO1TDO2
SCHEMBL7276627 0.78 SLC6A2 (0.47) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL7277039 0.76 NPY1R (0.47) SLC6A2SLC6A4IDO1TDO2CHRM2
SCHEMBL7276674 0.75 SLC6A2 (0.51) SLC6A2SLC6A4CHRM2SCN1ASCN2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0262448-B1 IMIDAZOLYLGUANIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM HEUMANN PHARMA GMBH & CO (DE) 1991-12-18 EP disclosed
US-4912119-A Cardiovascular disorders HEUMANN PHARMA GMBH & CO. (DE) 1990-03-27 US disclosed
EP-0262448-A1 Imidazolylguanidine derivatives, process for their preparation and medicines containing them HEUMANN PHARMA GMBH & CO (DE) 1988-04-06 EP disclosed